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EC number: 808-257-8 | CAS number: 749927-69-3
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 15 SEP 2022 TO 14 OCT 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- November 2019
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- July 1995
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
- Version / remarks:
- August 1996
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- 4-Bromo-2-fluoro-N-methylbenzamide
- EC Number:
- 808-257-8
- Cas Number:
- 749927-69-3
- Molecular formula:
- C8H7BrFNO
- IUPAC Name:
- 4-Bromo-2-fluoro-N-methylbenzamide
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- lot/batch number of test material: 21NN31395
- Expiry date: 18 December 2022 (retest date)
- Physical Description: Almost white powder
- Purity: 100.5%
- Purity test date: 25 JAN 2022
- Purity correction factor: 1.00
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under storage conditions: no data
- Stability under test conditions: no data
- Solubility and stability of the test item in the solvent/vehicle: no data
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: not applicable, the solid test item was transferred directly into the DSC cell
Results and discussion
Boiling point
- Key result
- Boiling pt.:
- >= 167.5 - <= 170 °C
- Atm. press.:
- 1 011 hPa
- Decomposition:
- yes
- Decomp. temp.:
- 275 °C
- Remarks on result:
- other: Evaporation of the sample occurred between 167.5°C and 170.0°C indicating a range of the evaporation temperature. This might indicate a potential boiling temperature.
Any other information on results incl. tables
Preliminary test
From the TGA curve it could be derived that starting at 175°C, the weight of the sample decreased significantly. At 252°C, the sample weight had decreased by 25%.
After the experiment it was observed that the test material was evaporated from the sample container (original colour: faint yellow. Observed colour in crucible: white).
Main study
During the Experiment 1, two endothermic effects were observed between 100°C and 150°C. An exothermic effect was observed between 275°C and 325°C. The first endothermic effect was obtained by unknown cause. The extrapolated onset temperature of the second effect was 125.199°C. The endothermic effect was most likely obtained due to melting of the test material. The exothermic effect was probably obtained due to reaction and/or decomposition of the test material. After the experiment it was observed that the test material had evaporated from the sample container.
To investigate the first endothermic effect, Experiment 2 was stopped after the first endothermic effect. After the experiment it was observed that the residue did not change from the original. The cause of the effect is unknown.
To investigate the second endothermic effect, Experiment 3 was stopped during the endothermic effect. After the experiment, a white molten residue remained in the sample container. It demonstrated that melting was the reason for the endothermic effect.
Experiment 4 was performed to investigate the residue before the exothermic effect. After the experiment it was observed that the test material had evaporated from the sample container.
Experiment 5 was performed to investigate the effects after the second endothermic effect. After the experiment a molten white residue remained in the sample container. It demonstrated that no effect occurred after the melting effect.
To investigate the exothermic effect, Experiment 6 was performed with a closed sample container and stopped after the exothermic effect. After the experiment a molten light brown residue remained in the sample container (observed appearance: white). The change of colour indicated reaction and/or decomposition of the test material.
Experiment 7 was performed with a golden sample container to investigate if a reaction occurred in the aluminium containers. After the experiment it was observed that there were no differences between measurements using an aluminium sample crucible or golden sample crucible.
No boiling temperature was found in experiments 2 to 6. Multiple measurements have been performed to distinguish the different events. From this it was concluded that no boiling point could be determined with DSC with evaluating an endothermic effect. Since evaporation of the test material did occur, an estimation of the evaporation temperature was performed by observing if test material still remained to recrystallise after heating above the melting temperature. Between the temperatures where recrystallisation occurs was the expected evaporation point.
Experiment 8 to 12 were performed consisting of a heating cycle, equilibration and cooling cycle to observe if a recrystallisation effect occurred. The results are presented in the table below. Recrystallization was observed between 90°C and 105°C.
DSC Experiments recrystallisation results
Experiment | 9 | 10 | 11 | 12 |
End Temperature (°C) | 150.0 | 170.0 | 165.0 | 167.5 |
Recrystallisation | Yes | No | Yes | Yes |
It was observed that evaporation of the sample occurred between 167.5°C and 170.0°C indicating a range of the evaporation temperature.
Applicant's summary and conclusion
- Conclusions:
- The boiling temperature of JNJ-61789975-AAA (T003669) was determined by DSC.
Evaporation of the sample occurred between 167.5°C and 170.0°C indicating a range of the evaporation temperature. This might indicate a potential boiling temperature.
The atmospheric pressure was 1011 ± 3 hPa.
Reaction and/or decomposition of the test material was observed during DSC experiments starting at 275°C.
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